Benzene

Benzene

SCHEMBL6990573

C=CCOCC1CO1.c1ccccc1

nearest known ligand 0.88

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.88
TSHR P16473 3/20 0.45
TDP1 Q9NUW8 3/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
HIF1A Q16665 1/20 0.37
GLA P06280 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MGLL Q99685 3/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Benzene SCHEMBL6899326 0.98 ALDH1A1 (0.84) ALDH1A1TSHRTDP1MAPK1SMN1; SMN2
SCHEMBL8064669 0.94
SCHEMBL15162 0.94
SCHEMBL10425203 0.91
Ethylene SCHEMBL28860341 0.91 ALDH1A1 (0.95) ALDH1A1TSHRTDP1MAPK1SMN1; SMN2
Fluoride SCHEMBL8522213 0.91
Methane SCHEMBL6049887 0.91
Water SCHEMBL1244975 0.91 ALDH1A1 (0.95) ALDH1A1TSHRTDP1MAPK1SMN1; SMN2
SCHEMBL9364657 0.91
Water SCHEMBL28856077 0.89 ALDH1A1 (0.91) ALDH1A1TSHRTDP1MAPK1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6656252-B2 Polymer separation membrane DAISO CO., LTD. (JP) 2003-12-02 US claimed
US-20030110947-A1 Polymer separation membrane RENESAS TECHNOLOGY CORP. (JP) 2003-06-19 US claimed
US-5457241-A Polyalk-1-enyl ethers ISP INVESTMENTS INC. (US) 1995-10-10 US disclosed
US-5334772-A Polyalk-1-enyl ethers ISP INVESTMENTS INC. (US) 1994-08-02 US disclosed
EP-0470788-B1 Synthetic lubricating oil NIPPON OIL CO LTD (JP) 1994-04-13 EP disclosed
EP-0494946-A4 ALK-1-ENYL ETHERS 1993-09-22 EP disclosed
US-5243089-A Alk-1-enyl ethers ISP INVESTMENTS INC. (US) 1993-09-07 US disclosed
US-5227533-A Alk-1-enyl ethers ISP INVESTMENTS INC. (US) 1993-07-13 US disclosed
US-5225606-A Alk-1-enyl ethers ISP INVESTMENTS INC. (US) 1993-07-06 US disclosed
US-5200437-A Radiation or thermally curable molding resins comprsing reaction product of hydroxylated compound, alk-w-enyloxy oxirane and alkyl epoxide with diluents, photoinitiator ISP INVESTMENTS INC. (US) 1993-04-06 US disclosed
EP-0494946-A1 ALK-1-ENYL ETHERS ISP INVESTMENTS INC (US) 1992-07-22 EP disclosed
EP-0470788-A1 Synthetic lubricating oil Nippon Oil Co., Ltd. (JP) 1992-02-12 EP disclosed
WO-1991004957-A1 ALK-1-ENYL ETHERS GAF CHEMICALS CORPORATION (US) 1991-04-18 WO disclosed